SCHEMBL11287606

SCHEMBL11287606

Cc1ccc(Cl)c(C)c1N(CC(=O)O)C(=O)CSC(=O)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 3/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
NR4A1 P22736 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
ESR2 Q92731 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11499435 0.91 ATM (0.36) HSD17B10RAB9APOLBGAAOPRM1
SCHEMBL11282776 0.89 ALDH1A1 (0.35) HSD17B10RAB9APOLBGAAKMT2A
SCHEMBL11337851 0.88 PTPN1 (0.33) HSD17B10RAB9APOLBGAAOPRM1
SCHEMBL11289135 0.87 OPRM1 (0.39) HSD17B10POLBGAAOPRM1KMT2A
SCHEMBL11494654 0.84 KMT2A (0.46) GAAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL11500869 0.82 KMT2A (0.35) HSD17B10RAB9APOLBGAAOPRM1
SCHEMBL11290459 0.81 SMN1; SMN2 (0.35) KMT2AMEN1ALDH1A1ALOX15MAPT
SCHEMBL11272650 0.80 ALDH1A1 (0.36) HSD17B10RAB9APOLBGAAKMT2A
SCHEMBL11349473 0.80 SMN1; SMN2 (0.34) KMT2AMEN1L3MBTL1ALDH1A1ALOX15
SCHEMBL11292381 0.79 RORC (0.39) RAB9APOLBGAAOPRM1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014167-B1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1982-06-30 EP disclosed
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 EP disclosed